Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50071839'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50071839 (4-Benzoyl-1-(4-phenoxy-benzenesulfonyl)-[1,4]diaze...) Show SMILES ONC(=O)C1CN(CCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25N3O6S/c29-24(26-31)23-18-27(25(30)19-8-3-1-4-9-19)16-7-17-28(23)35(32,33)22-14-12-21(13-15-22)34-20-10-5-2-6-11-20/h1-6,8-15,23,31H,7,16-18H2,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50071839 (4-Benzoyl-1-(4-phenoxy-benzenesulfonyl)-[1,4]diaze...) Show SMILES ONC(=O)C1CN(CCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25N3O6S/c29-24(26-31)23-18-27(25(30)19-8-3-1-4-9-19)16-7-17-28(23)35(32,33)22-14-12-21(13-15-22)34-20-10-5-2-6-11-20/h1-6,8-15,23,31H,7,16-18H2,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-13 (MMP-13)				Bioorg Med Chem Lett 8: 2657-62 (1999) BindingDB Entry DOI: 10.7270/Q28K79KZ
					More data for this Ligand-Target Pair